SCHEMBL9790174

SCHEMBL9790174

CCc1ccccc1NC(=O)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.54
▸ TAS1R1 Q7RTX1 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ GAA P10253 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ GRIN2D O15399 1/20 0.51
▸ GRIN3B O60391 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ GRIN2A Q12879 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ GRIN2C Q14957 1/20 0.51
▸ GRIN3A Q8TCU5 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2349955 0.87 MAPT (0.61) TAS1R3TAS1R1MAPTHTTLMNA
SCHEMBL21551505 0.81 MAPT (0.60) TAS1R3TAS1R1MAPTHTTLMNA
SCHEMBL9587541 0.81 ALDH1A1 (0.54) TAS1R3TAS1R1MAPTHTTALDH1A1
SCHEMBL453995 0.80 GAA (0.65) MAPTLMNAL3MBTL1ALDH1A1GAA
SCHEMBL29365765 0.80 GAA (0.65) MAPTLMNAL3MBTL1ALDH1A1GAA
SCHEMBL9115683 0.80 GRIN2D (0.61) TAS1R3TAS1R1MAPTHTTLMNA
SCHEMBL5580657 0.80 MAPT (0.55) TAS1R3TAS1R1MAPTHTTLMNA
SCHEMBL18415555 0.80 NLRP3 (0.51) MAPTHTTLMNANPSR1ALDH1A1
SCHEMBL29452944 0.80 GRIN2D (0.61) TAS1R3TAS1R1MAPTHTTLMNA
SCHEMBL9790155 0.79 GAA (0.69) LMNAL3MBTL1ALDH1A1GAAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 — — US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 — — US disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 — — WO disclosed
US-5051459-A Light stabilizer for organic materials such as organic polymer lacquers CIBA-GEIGY CORPORATION (US) 1991-09-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 TAS1R3 3079/4885TAS1R1 2720/4885MAPT 1200/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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